SCHEMBL16720154

SCHEMBL16720154

[c]1ccc2c(c1)ccn2-c1c[nH]c2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.34
IMPDH1 P20839 1/20 0.34
ATM Q13315 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP19A1 P11511 1/20 0.33
TBXAS1 P24557 1/20 0.33
MAPT P10636 4/20 0.33
CYP3A4 P08684 2/20 0.33
GPR84 Q9NQS5 2/20 0.33
AHR P35869 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL547317 0.82 ADRB1 (0.40) CYP19A1MAPTAHR
SCHEMBL7372110 0.82 PRKD3 (0.44) IMPDH2IMPDH1ATMCDK4CCND1
SCHEMBL27993072 0.81 PRKD3 (0.42) IMPDH2IMPDH1ATMCDK4CCND1
SCHEMBL16720005 0.79 LRRK2 (0.40) KMT2AGPR84GSK3B
SCHEMBL7375006 0.75 TDO2 (0.45) IMPDH2SMN1; SMN2MEN1KMT2ACYP19A1
SCHEMBL16720663 0.74 KDM4E (0.36) CYP3A4ALDH1A1NPC1RAB9AKDM4E
SCHEMBL6466793 0.73 ATM (0.34) IMPDH2IMPDH1ATMSMN1; SMN2MEN1
SCHEMBL16720382 0.72 DRD2 (0.38)
SCHEMBL16720396 0.72 NOS1 (0.38)
SCHEMBL16720379 0.72 IDO1 (0.40) MEN1KMT2AMAPTALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 EP disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 WO disclosed